Molecule

ID:121068

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O₂S
Molecular Mass
233.33106
Exact Mass
233.11979786
Charge
0
InChI
InChI=1S/C9H19N3O2S/c13-15(14,11-6-1-2-7-11)12-8-3-4-10-5-9-12/h10H,1-9H2
InChIKey
FEQGGUDCNSGJFR-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(N1CCCC1)N1CCNCCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCCC1)N1CCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.6259286
LogD (pH = 7.4)
-1.8919384
Log P
-1.1667708
Molar Refractivity
59.5902
Polarizability
24.242476
Polar Surface Area
52.65
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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